2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C7H13NO4S — CID 104550107

IUPAC2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESC[C@@H](CO)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C7H13NO4S/c1-5(4-9)8-6(10)7(2,3)13(8,11)12/h5,9H,4H2,1-3H3/t5-/m0/s1
InChIKeyIPWPUEHFBYKIHD-YFKPBYRVSA-N
MW207.25 g/mol
LogP-0.68
Rot. Bonds2

About 2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 104550107) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID104550107
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESC[C@@H](CO)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C7H13NO4S/c1-5(4-9)8-6(10)7(2,3)13(8,11)12/h5,9H,4H2,1-3H3/t5-/m0/s1
InChIKeyIPWPUEHFBYKIHD-YFKPBYRVSA-N
XLogP-0.68
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Fluoro-2-hydroxypropyl)-4,4-dimethyl-1lambda6,2-thiazetidine-1,1,3-trione
CID 165600805
2-(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)propanoic acid
CID 79876291
2-(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)-3-hydroxypropanoic acid
CID 79876481
2-(2-Hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886077
2-(4-Hydroxybutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886167
2-(3-Hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887303
2-(2-Hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887392
2-(3-Hydroxybutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 80076653
2-(2,3-Dihydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 82850588
2-(1-Hydroxybutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549027
2-(1-Hydroxy-2-methylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549057
2-(1-Hydroxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549196

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 104550107) is 2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is C[C@@H](CO)N1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is IPWPUEHFBYKIHD-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-5(4-9)8-6(10)7(2,3)13(8,11)12/h5,9H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of 2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 207.25 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-hydroxypropan-2-yl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 104550107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).